%0 Journal Article
%T Theoretical study of the infrared spectrum of clusters<br>团簇红外吸收谱的理论研究
%A He Chun-Long
%A Wang Feng
%A Li Jia-Ming
%A <br>何春龙
%A 王锋
%A 李家明
%J 物理学报
%D 2003
%I 
%X According to the time correlation function theory, the infrared spectrum of clu sters can be calculated by using the molecular dynamics simulation. As an examp le, the infrared spectrum of C60 is calculated using orthogonal tight -bind ing molecular dynamics simulation. The calculated infrared spectrum is sufficien t to identify the experimental infrared spectrum. The above method is a powerful tool for the study of nano systems.
%K infrared spectrum
%K cluster
%K time correlation function<br>红外吸收谱，
%K 团簇，
%K 时间关联函数
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=0CC2AD88656C8362&yid=D43C4A19B2EE3C0A&vid=286FB2D22CF8D013&iid=5D311CA918CA9A03&sid=23E2AE7BE4186237&eid=E1BA6CA93A8F9A6A&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=12